phenyl N-(3-cyano-4-fluorophenyl)carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenyl N-(3-cyano-4-fluorophenyl)carbamate
• 英文别名: phenyl (3-cyano-4-fluorophenyl)carbamate
• 化学式: C₁₄H₉FN₂O₂
• 分子量: 256.236
• InChiKey: NHLIEUJLUQIYMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phenyl N-(3-cyano-4-fluorophenyl)carbamate 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 149.08h， 生成
  参考文献：
  名称：

  [EN] SYNTHESIS OF SUBSTITUTED ARYLMETHYLUREAS, ANALOGUES, AND CRYSTALLINE FORMS THEREOF AND METHODS OF USING SAME
  [FR] SYNTHÈSE D'ARYLMÉTHYLURÉES SUBSTITUÉES, ANALOGUES ET FORMES CRISTALLINES DE CELLES-CI ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本公开涉及合成方法，用于制备某些取代的（杂）芳基甲基脲化合物，包括含有它们的组合物和晶体形式，可用于治疗、改善和/或预防患者的乙型肝炎病毒（HBV）感染。

  公开号：

  WO2021257669A1
• 作为产物：
  描述：

  5-氨基-2-氟苯腈 、 氯甲酸苯酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 phenyl N-(3-cyano-4-fluorophenyl)carbamate
  参考文献：
  名称：

  New activators of eIF2α Kinase Heme-Regulated Inhibitor (HRI) with improved biophysical properties

  摘要：

  Heme-regulated inhibitor (HRI), a eukaryotic translation initiation factor 2 alpha (eIF2 alpha) kinase, is critically important for coupling protein synthesis to heme availability in reticulocytes and adaptation to various environmental stressors in all cells. HRI modifies the severity of several hemoglobin misfolding disorders including beta-thalassemia. Small molecule activators of HRI are essential for studying normaland patho-biology of this kinase as well as for the treatment of various human disorders for which activation of HRI or phosphorylation of eIF2 alpha may be beneficial. We previously reported development of 14(1,4-trans)-4-aryloxycyclohexyl)-3-arylureas (cHAUs) as specific HRI activators and demonstrated their potential as molecular probes for studying HRI biology and as lead compounds for treatment of various human disorders. To develop more druglike cHAUs for in vivo studies and drug development and to expand the chemical space, we undertook bioassay guided structure-activity relationship studies replacing cyclohexyl ring with various 4-6-membered rings and explored further substitutions on the N-phenyl ring. We tested all analogs in the surrogate eIF2 alpha phosphorylation and cell proliferation assays, and a subset of analogs in secondary mechanistic assays that included endogenous eIF2 alpha phosphorylation and expression of C/EBP homologous protein (CHOP), a downstream effector. Finally, we determined specificity of these compounds for HRI by testing their anti-proliferative activity in cells transfected with siRNA targeting HRI or mock. These compounds have significantly improved cLogPs with no loss of potencies, making them excellent candidates for lead optimization for development of investigational new drugs that potently and specifically activate HRI. (C) 2019 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2019.111973

文献信息

• [EN] DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS DE DIAZÉPINONE ET LEUR UTILISATION DANS LE TRAITEMENT DES INFECTIONS PAR L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2018005883A1

  公开（公告）日：2018-01-04

  Provided herein are compounds of formula (I) and (V) useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了一种用于治疗HBV感染的化合物(I)和(V)，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS<br/>[FR] DÉRIVÉS D'OXADIAZÉPINONE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS PAR L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2018005881A1

  公开（公告）日：2018-01-04

  Provided herein are compounds of formula (IA) and (III) useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了公式（IA）和（III）的化合物，用于治疗需要治疗HBV感染的受试者，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• [EN] SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF<br/>[FR] (PHTALAZIN-1-YLMÉTHYL)URÉES SUBSTITUÉES, N- (PHTALAZIN-1-YLMÉTHYL)AMIDES SUBSTITUÉS ET ANALOGUES DE CEUX-CI
  申请人：ARBUTUS BIOPHARMA CORP

  公开号：WO2021250466A1

  公开（公告）日：2021-12-16

  The present disclosure includes certain substituted (phthalazin-1-ylmethyl)ureas, N- (phthalazin-1-ylmethyl)amides, and analogues thereof, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) and/or hepatitis D virus (HDV) infections in a patient.

  本公开包括某些取代的(酞azine-1-ylmethyl)脲、N-(酞azine-1-ylmethyl)酰胺及其类似物，以及包含相同成分的组合物，可用于治疗或预防患者乙型肝炎病毒(HBV)和/或丁型肝炎病毒(HDV)感染。
• [EN] DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS<br/>[FR] AZÉPANES DI-FLUORÉS EN TANT QUE MODULATEURS DE L'ASSEMBLAGE DE LA CAPSIDE DU VHB
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020239862A1

  公开（公告）日：2020-12-03

  Disclosed are compounds, compositions and methods for treating of diseases,syndromes, conditions, and disorders that are affected by the modulation of CAM1. Such compounds are represented by Formula (I) as follows: (I).Wherein R1a, R1b, R2, R3, R4, and X, are defined herein.

  揭示了一种通过调节CAM1来治疗受影响的疾病、综合症、状况和紊乱的化合物、组合物和方法。这些化合物由以下式（I）表示：（I）。其中R1a、R1b、R2、R3、R4和X在此处被定义。
• [EN] FUSED HETEROCYCLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020243153A1

  公开（公告）日：2020-12-03

  The application describes fused heterocycle derivative compounds, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases associated with HBV infection.

  该应用描述了融合杂环衍生物化合物，包括这些化合物的药物组合物，用于制备这些化合物的化学过程以及它们在治疗与HBV感染相关的疾病中的用途。